dimethyl 2-(2-anilino-1-chloro-2-sulfanylideneethylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-(2-anilino-1-chloro-2-sulfanylideneethylidene)-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-(2-anilino-1-chloro-2-sulfanylideneethylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8019-6365 |
| Compound Name: | dimethyl 2-(2-anilino-1-chloro-2-sulfanylideneethylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 401.91 |
| Molecular Formula: | C15 H12 Cl N O4 S3 |
| Smiles: | COC(C1=C(C(=O)OC)SC(=C(C(Nc2ccccc2)=S)[Cl])S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3686 |
| logD: | 4.3663 |
| logSw: | -4.4421 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.626 |
| InChI Key: | ARCYLOMZIIJYRN-UHFFFAOYSA-N |